First-Principles Study of Nitrogen Adsorption and Dissociation on ZrMnFe(110) Surface

The adsorption, dissociation and penetration processes of N(2) on the surface of ZrMnFe(110) were investigated using the first-principles calculation method in this paper. The results indicate that the vacancy Hollow 1 composed of 4Zr1Fe on the surface of ZrMnFe(110) is the best adsorption site for...

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Detalles Bibliográficos
Autores principales: Yang, Qiaobin, Zeng, Fanhao, Chen, Meiyan, Dai, Yu, Gao, Yafang, Huang, Rui, Gu, Yi, Song, Jiangfeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10179308/
https://www.ncbi.nlm.nih.gov/pubmed/37176205
http://dx.doi.org/10.3390/ma16093323

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10179308/
https://www.ncbi.nlm.nih.gov/pubmed/37176205
http://dx.doi.org/10.3390/ma16093323

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